3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide

C11H24N2O2S — CID 106310415

IUPAC3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-10(2)13-11(15)4-5-12-6-9-16-8-3-7-14/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFMZFLSIHWOJOTE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.61
Rot. Bonds10

About 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide

3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 106310415) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID106310415
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-10(2)13-11(15)4-5-12-6-9-16-8-3-7-14/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFMZFLSIHWOJOTE-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
5-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide
CID 112549766
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
CID 104668411
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylpropanoic acid
CID 106305628

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide (CID 106310415) is 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCSCCCO.
What is the InChIKey of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is FMZFLSIHWOJOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)13-11(15)4-5-12-6-9-16-8-3-7-14/h10,12,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide?
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 248.39 g/mol, XLogP of 0.61, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106310415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).